2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

C10H8N2O4S — CID 1433387

IUPAC2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)c2ccco2)sc1C(=O)O
InChIInChI=1S/C10H8N2O4S/c1-5-7(9(14)15)17-10(11-5)12-8(13)6-3-2-4-16-6/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChIKeyPTLGOOWEAHEWJQ-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.00
Rot. Bonds3

About 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 1433387) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID1433387
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)c2ccco2)sc1C(=O)O
InChIInChI=1S/C10H8N2O4S/c1-5-7(9(14)15)17-10(11-5)12-8(13)6-3-2-4-16-6/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChIKeyPTLGOOWEAHEWJQ-UHFFFAOYSA-N
XLogP2.00
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl [2-(2-furoylamino)-1,3-thiazol-4-yl]acetate
CID 674924
N-(5-Acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide
CID 896250
N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide
CID 4653584
5-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-furamide
CID 843094
methyl 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3,3,3-trifluoro-N-2-furoylalaninate
CID 3236054
N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 786020
2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843725
Ethyl 2-(furan-2-carboxamido)-4-phenylthiazole-5-carboxylate
CID 747391
5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-furamide
CID 841544
Ethyl 4-methyl-2-[(5-methylfuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 868243
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 1485671
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2056446

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 1433387) is 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(=O)c2ccco2)sc1C(=O)O.
What is the InChIKey of 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is PTLGOOWEAHEWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S/c1-5-7(9(14)15)17-10(11-5)12-8(13)6-3-2-4-16-6/h2-4H,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 252.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 1433387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).